| Name |
Adenolin A |
| Formula |
C25H36O9 |
| Mw |
480.23593275 |
| CAS RN |
146436-16-0 |
| C_ID |
C00048307
, 
|
| InChIKey |
DGVZXNNCLWTOAG-OLWYMYHSNA-N |
| InChICode |
InChI=1S/C25H36O9/c1-13(26)32-11-22(3)6-5-7-23-12-33-25(30,21(29)19(22)23)24-9-15(16(10-31-4)20(24)28)8-17(18(23)24)34-14(2)27/h15-19,21,29-30H,5-12H2,1-4H3/t15-,16-,17-,18+,19-,21+,22+,23?,24+,25-/m1/s1 |
| SMILES |
[C@@]123[C@H]([C@@H]([C@@]([C@@]45[C@H]1[C@@H](C[C@@H]([C@H](C4=O)COC)C5)OC(=O)C)(O)OC3)O)[C@@](CCC2)(COC(=O)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Isodon sinuolata | Ref. |
|
|
zoom in
|
